2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C20H28N6O2 — CID 124967872

About 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 124967872) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
• PubChem CID: 124967872
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
• SMILES: CNc1cc(Nc2cc(CCC3CCN(C(=O)COC)CC3)ccn2)ncn1
• InChI: InChI=1S/C20H28N6O2/c1-21-17-12-19(24-14-23-17)25-18-11-16(5-8-22-18)4-3-15-6-9-26(10-7-15)20(27)13-28-2/h5,8,11-12,14-15H,3-4,6-7,9-10,13H2,1-2H3,(H2,21,22,23,24,25)
• InChIKey: IWOMBBUBCWIULG-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 124967872) is 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is CNc1cc(Nc2cc(CCC3CCN(C(=O)COC)CC3)ccn2)ncn1.

What is the InChIKey of 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?

The InChIKey is IWOMBBUBCWIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-21-17-12-19(24-14-23-17)25-18-11-16(5-8-22-18)4-3-15-6-9-26(10-7-15)20(27)13-28-2/h5,8,11-12,14-15H,3-4,6-7,9-10,13H2,1-2H3,(H2,21,22,23,24,25).

What are the key properties of 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?

2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 384.48 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124967872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).